| CAS Number | 666832-64-0 |
| Catalog Number | AG019PBL(AGN-PC-0TLNMY) |
| Chemical Name | Methyl 3-(2-chloroacetamido)propanoate |
| IUPAC Name | methyl 3-[(2-chloroacetyl)amino]propanoate |
| InChI | InChI=1S/C6H10ClNO3/c1-11-6(10)2-3-8-5(9)4-7/h2-4H2,1H3,(H,8,9) |
| InChI Key | QSZIGTZFEBZNHL-UHFFFAOYSA-N |
| MDL Number | MFCD09836705 |
| Molecular Formula | C6H10ClNO3 |
| Molecular Weight | 179.6015 |
| SMILES | COC(CCNC(CCl)=O)=O |
| Synonyms | methyl 3-(2-chloroacetamido)propanoate,
666832-64-0,
SCHEMBL18376239,
AC1Q4447,
ZINC35044898,
AKOS005068228,
NE26281,
EN300-23110,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.6g/mol |
| Monoisotopic Mass | 179.035g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number